[ICML 2023] Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction
☆26Nov 10, 2023Updated 2 years ago
Alternatives and similar repositories for Geo-DEG
Users that are interested in Geo-DEG are comparing it to the libraries listed below
Sorting:
- ☆11Jan 21, 2019Updated 7 years ago
- A Python tool for parsing and analyzing electron density maps data available from the worldwide Protein Data Bank☆12Sep 28, 2023Updated 2 years ago
- Application for detecting functional groups of a molecules.☆17Jul 17, 2023Updated 2 years ago
- ☆18Aug 5, 2023Updated 2 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- Distributed Edge Inference for Deep Neural Networks☆19Feb 28, 2022Updated 4 years ago
- TensorFlow Lite bindings for Node.js☆16Jan 6, 2023Updated 3 years ago
- ☆27Dec 13, 2024Updated last year
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Feb 24, 2025Updated last year
- Learning with uncertainty for biological discovery and design☆34Mar 24, 2023Updated 2 years ago
- Computational chemistry benchmark data sets for non-covalent interactions☆29Jan 13, 2025Updated last year
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆32May 17, 2024Updated last year
- Molecular docking with Alchemical Interaction Grids☆30Nov 6, 2025Updated 4 months ago
- ☆39Jun 25, 2025Updated 8 months ago
- KDS software for Kinase Drug Selectivity☆11Jun 8, 2023Updated 2 years ago
- ☆10Feb 17, 2022Updated 4 years ago
- ☆16Jul 7, 2024Updated last year
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated last year
- ☆10Feb 3, 2025Updated last year
- OpenGL shader playground with fixed/mouse/eye-based foveated rendering. Final project for 15-469 Visual Computing Systems course at CMU.☆12May 6, 2022Updated 3 years ago
- [ICCV2025] DAMap: Distance-aware MapNet for High Quality HD Map Construction☆23Nov 21, 2025Updated 3 months ago
- Machine learning desktop application for molecular property prediction and analysis☆21Aug 30, 2025Updated 6 months ago
- Code for ICML 2025: SAH-Drive: A Scenario-Aware Hybrid Planner for Closed-Loop Vehicle Trajectory Generation☆17Jun 21, 2025Updated 8 months ago
- ☆10Jun 24, 2023Updated 2 years ago
- Molecular Structure Generation☆34Aug 13, 2024Updated last year
- Batch scripts curating BioRxiv and PubMed articles by using Altmetric score.☆11May 9, 2020Updated 5 years ago
- ☆12Mar 28, 2023Updated 2 years ago
- LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories☆13Dec 17, 2022Updated 3 years ago
- Code for the MSB publication: Exploring amino acid functions and positional subtypes in a deep mutational landscape☆10Jun 11, 2022Updated 3 years ago
- A wasmCloud provider for the ollama API☆12Apr 23, 2024Updated last year
- ☆16Jun 9, 2024Updated last year
- Code for ICLR'24 Paper "Decoupling Weighing and Selecting for Integrating Multiple Graph Pre-training Tasks"☆10Mar 12, 2024Updated last year
- Emulator of the soviet ternary computer "Setun-70" (Сетунь-70)☆18Dec 9, 2024Updated last year
- This is a phylogeny workflow for batch submission to HPC cluster built with Slurm queue manager☆10Mar 19, 2024Updated last year
- This is the official implementation of "Motif-based Graph Representation Learning with Application to Chemical Molecules".☆11Feb 10, 2023Updated 3 years ago
- Multimodal single-cell data API, for adding information for -omics like scRNA-seq as well as ATAC-seq, spatial transcriptomics, hyperspec…☆13Jul 12, 2024Updated last year
- cursor can now read your terminal in realtime☆21Sep 14, 2025Updated 5 months ago
- ☆14Sep 19, 2024Updated last year
- A collection of virtual screening benchmarking☆12Sep 16, 2023Updated 2 years ago